2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid

C19H25N3O4 — CID 120524856

IUPAC2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
SMILESCCC(CC)n1ncc(C(=O)Nc2ccc(OCC(=O)O)cc2C)c1C
InChIInChI=1S/C19H25N3O4/c1-5-14(6-2)22-13(4)16(10-20-22)19(25)21-17-8-7-15(9-12(17)3)26-11-18(23)24/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyMWXSDMFJOZQOLH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.58
Rot. Bonds8

About 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid

2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid (PubChem CID 120524856) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
PubChem CID120524856
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
SMILESCCC(CC)n1ncc(C(=O)Nc2ccc(OCC(=O)O)cc2C)c1C
InChIInChI=1S/C19H25N3O4/c1-5-14(6-2)22-13(4)16(10-20-22)19(25)21-17-8-7-15(9-12(17)3)26-11-18(23)24/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyMWXSDMFJOZQOLH-UHFFFAOYSA-N
XLogP3.58
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid
CID 120687359
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-chloro-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515659
2-[3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 119231845
2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 119231693
2-[4-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231781
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid (CID 120524856) is 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid is CCC(CC)n1ncc(C(=O)Nc2ccc(OCC(=O)O)cc2C)c1C.
What is the InChIKey of 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is MWXSDMFJOZQOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-14(6-2)22-13(4)16(10-20-22)19(25)21-17-8-7-15(9-12(17)3)26-11-18(23)24/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24).
What are the key properties of 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid?
2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 359.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 120524856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).